4ALV

Benzofuropyrimidinone Inhibitors of Pim-1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	SERINE/THREONINE-PROTEIN KINASE PIM-1	polymer	328	37557.7	1	UniProt (P11309) Pfam (PF00069)	HOMO SAPIENS (HUMAN)	PIM-1 KINASE
2	B (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
3	C (A)	8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one	non-polymer		487.8	1	Chemie (R9P)
4	D (A)	water	water		18.0	72	Chemie (HOH)

Sequence modifications

A: 2 - 313 (UniProt: P11309)

PDB	External Database	Details
Met -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37557.7
Non-Polymers*	Number of molecules	2
	Total formula weight	556.9
All*	Total formula weight	38114.5

*Water molecules are not included.